(2-hydroxycyclohexyl) thiocyanate

C7H11NOS — CID 11062645

IUPAC(2-hydroxycyclohexyl) thiocyanate
SMILESN#CSC1CCCCC1O
InChIInChI=1S/C7H11NOS/c8-5-10-7-4-2-1-3-6(7)9/h6-7,9H,1-4H2
InChIKeyCCTVQTQHCKSZAB-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.50
Rot. Bonds1

About (2-hydroxycyclohexyl) thiocyanate

(2-hydroxycyclohexyl) thiocyanate (PubChem CID 11062645) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (2-hydroxycyclohexyl) thiocyanate.

Molecular Properties

Compound Name(2-hydroxycyclohexyl) thiocyanate
PubChem CID11062645
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(2-hydroxycyclohexyl) thiocyanate
SMILESN#CSC1CCCCC1O
InChIInChI=1S/C7H11NOS/c8-5-10-7-4-2-1-3-6(7)9/h6-7,9H,1-4H2
InChIKeyCCTVQTQHCKSZAB-UHFFFAOYSA-N
XLogP1.50
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-methylsulfanylcyclohexan-1-ol
CID 130694561
(5-hydroxy-2-bicyclo[2.2.1]heptanyl) thiocyanate
CID 137495367
[(1R,2R)-2-phenylselanylcyclohexyl] thiocyanate
CID 10803865
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
2-hydroxycyclohexane-1-carbonitrile
CID 543100
2-(2-hydroxyethylsulfanyl)cyclopentan-1-ol
CID 60884188
cyclobutyl thiocyanate
CID 119096028
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
CID 25004234
2-(2-hydroxycyclohexyl)sulfanylacetic acid
CID 6611068
4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylphenol
CID 67808462

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclohexyl) thiocyanate?
The IUPAC name of (2-hydroxycyclohexyl) thiocyanate (CID 11062645) is (2-hydroxycyclohexyl) thiocyanate.
What is the SMILES notation for (2-hydroxycyclohexyl) thiocyanate?
The canonical SMILES for (2-hydroxycyclohexyl) thiocyanate is N#CSC1CCCCC1O.
What is the InChIKey of (2-hydroxycyclohexyl) thiocyanate?
The InChIKey is CCTVQTQHCKSZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c8-5-10-7-4-2-1-3-6(7)9/h6-7,9H,1-4H2.
What are the key properties of (2-hydroxycyclohexyl) thiocyanate?
(2-hydroxycyclohexyl) thiocyanate has a molecular weight of 157.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclohexyl) thiocyanate is sourced from PubChem (CID 11062645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).